SCHEMBL31402609

SCHEMBL31402609

CCCCCCN=Nc1ccccc1S

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.35
LIPG Q9Y5X9 1/20 0.32
EPHX1 P07099 3/20 0.31
ALDH1A1 P00352 2/20 0.31
PTPN1 P18031 1/20 0.31
HTT P42858 1/20 0.31
HTR2A P28223 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
DNM1 Q05193 1/20 0.31
KCNH2 Q12809 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8726004 0.77 MEN1 (0.52) ALDH1A1HTT
SCHEMBL11279171 0.77 NPC1 (0.52) ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11279164 0.77 NPC1 (0.52) ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL8726001 0.77 MEN1 (0.52) ALDH1A1HTT
SCHEMBL6682728 0.75 ALDH1A1 (0.40) ALDH1A1HTTCYP1A2CYP2D6CYP2C19
SCHEMBL6682732 0.75 ALDH1A1 (0.40) ALDH1A1HTTCYP1A2CYP2D6CYP2C19
SCHEMBL10431202 0.74 ALDH1A1 (0.42) ALDH1A1HTTDNM1KCNH2
SCHEMBL10431203 0.74 ALDH1A1 (0.42) ALDH1A1HTTDNM1KCNH2
SCHEMBL3195894 0.74 ALDH1A1 (0.42) ALDH1A1HTTDNM1KCNH2
SCHEMBL16700968 0.73 ALPG (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250076757-A1 TREATMENTS FOR METAL OXIDE PHOTORESIST FILMS TOKYO ELECTRON LIMITED (JP) 2025-03-06 US disclosed